(2E)-5-methylidene-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one

C12H8N4OS2 — CID 135400957

IUPAC(2E)-5-methylidene-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one
SMILESC=C1S/C(=N/c2nnc(-c3ccccc3)s2)NC1=O
InChIInChI=1S/C12H8N4OS2/c1-7-9(17)13-11(18-7)14-12-16-15-10(19-12)8-5-3-2-4-6-8/h2-6H,1H2,(H,13,14,16,17)
InChIKeyNAQTWMMDYSNVFA-UHFFFAOYSA-N
MW288.36 g/mol
LogP2.57
Rot. Bonds2

About (2E)-5-methylidene-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one

(2E)-5-methylidene-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one (PubChem CID 135400957) has the molecular formula C12H8N4OS2 and a molecular weight of 288.36 g/mol. Its IUPAC name is (2E)-5-methylidene-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-5-methylidene-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one
PubChem CID135400957
Molecular FormulaC12H8N4OS2
Molecular Weight288.36 g/mol
Exact Mass288.01
IUPAC Name(2E)-5-methylidene-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one
SMILESC=C1S/C(=N/c2nnc(-c3ccccc3)s2)NC1=O
InChIInChI=1S/C12H8N4OS2/c1-7-9(17)13-11(18-7)14-12-16-15-10(19-12)8-5-3-2-4-6-8/h2-6H,1H2,(H,13,14,16,17)
InChIKeyNAQTWMMDYSNVFA-UHFFFAOYSA-N
XLogP2.57
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-5-methylidene-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-5-methylidene-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one (CID 135400957) is (2E)-5-methylidene-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-5-methylidene-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-5-methylidene-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one is C=C1S/C(=N/c2nnc(-c3ccccc3)s2)NC1=O.
What is the InChIKey of (2E)-5-methylidene-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one?
The InChIKey is NAQTWMMDYSNVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4OS2/c1-7-9(17)13-11(18-7)14-12-16-15-10(19-12)8-5-3-2-4-6-8/h2-6H,1H2,(H,13,14,16,17).
What are the key properties of (2E)-5-methylidene-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one?
(2E)-5-methylidene-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one has a molecular weight of 288.36 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-5-methylidene-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135400957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).